ethyl 6-bromanyl-5-methoxy-2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-methoxy-2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1-benzofuran-3-carboxylate Openeye Name: ethyl 6-bromo-5-methoxy-2-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]benzofuran-3-carboxylate CAS Name: 6-bromo-5-methoxy-2-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-methoxy-2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-5-methoxy-2-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C24H28BrN2O4+ MolecularWeight: 488.39412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC)Br)C[NH+]3CCN(CC3)C4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC)Br)C[NH+]3CCN(CC3)C4=CC=CC=C4C

InChI

InChI=1S/C24H27BrN2O4/c1-4-30-24(28)23-17-13-21(29-3)18(25)14-20(17)31-22(23)15-26-9-11-27(12-10-26)19-8-6-5-7-16(19)2/h5-8,13-14H,4,9-12,15H2,1-3H3/p+1